Details of the Drug | DrugMAP

General Information of Drug (ID: DMW2N5D)

Drug Name	PMID27109571-Compound-1
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			236.27
	Logarithm of the Partition Coefficient (xlogp)			-1.9
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C12H16N2O3 IUPAC Name 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid Canonical SMILES C1COCCN1CCC2=NC=C(C=C2)C(=O)O InChI InChI=1S/C12H16N2O3/c15-12(16)10-1-2-11(13-9-10)3-4-14-5-7-17-8-6-14/h1-2,9H,3-8H2,(H,15,16) InChIKey IAYFDTNYXBOKKE-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 68053067 TTD ID D0ZC2K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein (FABP)	TTMY6L1	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Fatty acid binding protein (FABP) inhibitors: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):767-76.